Crystallography Open Database

Information card for entry 7052941

Preview

Coordinates	7052941.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H12 N4
Calculated formula	C14 H12 N4
SMILES	c1cc(ccn1)C1C(=C(NC(=C1C#N)C)C)C#N
Title of publication	Silver(i) supramolecular complexes generated from polydentate ligands containing cyano and pyridyl groups
Authors of publication	Yeh, Chun-Wei; Chang, Wen-Jung; Suen, Maw-Cherng; Jou, Chi-Hsiung; Wang, Ju-Chun
Journal of publication	New Journal of Chemistry
Year of publication	2012
Journal volume	36
Journal issue	12
Pages of publication	2520
a	6.8273 ± 0.0006 Å
b	12.263 ± 0.0011 Å
c	7.4173 ± 0.0007 Å
α	90°
β	97.954 ± 0.002°
γ	90°
Cell volume	615.03 ± 0.1 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	3
Space group number	11
Hermann-Mauguin space group symbol	P 1 21/m 1
Hall space group symbol	-P 2yb
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.0434
Weighted residual factors for significantly intense reflections	0.1277
Weighted residual factors for all reflections included in the refinement	0.1329
Goodness-of-fit parameter for all reflections included in the refinement	1.088
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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